Geometry & MOs

Info

ID:	306022
PubChem CID:	125000612
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	5.23
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine

Drug info:

PubChemData

Smile

CCCO[C@@H]1CCCN(C1)C(=O)C2=CC(=NC3=CC=NN32)C

DOS

IR

Vibrations